Structural, thermodynamic, magnetic and electronic properties of novel bromide double perovskites Rb2XBr6 (X4+ = V4+, Cr4+, Mn4+) from first-principles DFT computational modeling DOI
M. Musa Saad H.-E., B. O. Alsobhi

Computational Condensed Matter, Journal Year: 2024, Volume and Issue: unknown, P. e00976 - e00976

Published: Oct. 1, 2024

Language: Английский

Exploring the Influence of Hydrostatic Pressure on the Structural and Optoelectronic Behavior of Cubic A3PCl3 (A = Mg, Ca) Perovskite for Solar Cell Applications DOI

Asadul Islam Shimul,

Md. Mahfuzul Haque, Avijit Ghosh

et al.

Optics Communications, Journal Year: 2025, Volume and Issue: unknown, P. 131807 - 131807

Published: March 1, 2025

Language: Английский

Citations

2
Experimental and DFT study of structural, optical and piezoelectric properties of perovskite SmTaO3 for optoelectronic applications DOI
Abid Zaman, Kakul Husain, Salhah Hamed Alrefaee

et al.

Journal of Physics and Chemistry of Solids, Journal Year: 2025, Volume and Issue: unknown, P. 112695 - 112695

Published: March 1, 2025

Language: Английский

Citations

0
Insight into structural, Opto-electronic and elastic properties of lead-free double perovskites Cs2TlInX6 (X = cl, Br and I) for optoelectronic applications: A first principles calculations DOI Creative Commons

Nimra Ehsan,

Tasawer Shahzad Ahmad,

Mian H. R. Mahmood

et al.

Electrochemistry Communications, Journal Year: 2025, Volume and Issue: unknown, P. 107930 - 107930

Published: April 1, 2025

Language: Английский

Citations

0
Exploring the Potential of Rare-Earth Aluminum Oxides Lu3Al5O12 and Y3Al5O12 as Advanced Thermal Barrier Coatings: A DFT-Based Analysis DOI

Shengyuan Luo,

Shakeel Shakeel,

Shabir Ali

et al.

Ceramics International, Journal Year: 2025, Volume and Issue: unknown

Published: May 1, 2025

Language: Английский

Citations

0
Pressure effect on structural, electronic, and mechanical properties of Na3OX (X = Cl, Br, I) solid electrolytes: DFT study DOI

Abdelhak Chouiekh,

Mohammed Lazrak,

Nour El Hoda Bouftila

et al.

Inorganic Chemistry Communications, Journal Year: 2025, Volume and Issue: unknown, P. 114769 - 114769

Published: May 1, 2025

Language: Английский

Citations

0
First principles investigation of structural, electrical, mechanical, optical and thermoelectric properties of half-Heusler semiconductor KBaAs DOI
P.K. Swain, P.K. Swain, S. Mohanta

et al.

Materials Science and Engineering B, Journal Year: 2025, Volume and Issue: 321, P. 118438 - 118438

Published: June 3, 2025

Language: Английский

Citations

0
Structural, thermodynamic, magnetic and electronic properties of novel bromide double perovskites Rb2XBr6 (X4+ = V4+, Cr4+, Mn4+) from first-principles DFT computational modeling DOI
M. Musa Saad H.-E., B. O. Alsobhi

Computational Condensed Matter, Journal Year: 2024, Volume and Issue: unknown, P. e00976 - e00976

Published: Oct. 1, 2024

Language: Английский

Citations

0